SCHEMBL10144154

SCHEMBL10144154

Cc1cc(=O)n(C)c2cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCC3CCCCC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ LDLR P01130 5/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10143484 0.86 CA1 (0.45) CA1CA2SIRT5TDP1LDLR
SCHEMBL10143417 0.81 CA1 (0.43) CA1CA2SIRT5TDP1HDAC4
SCHEMBL10143559 0.80 CA1 (0.55) CA1CA2SIRT5ALDH1A1SMN1; SMN2
SCHEMBL10144442 0.76 CA1 (0.45) CA1CA2SIRT5TDP1HDAC4
SCHEMBL10144131 0.75 MDM2 (0.41) CA1CA2SIRT5
SCHEMBL10144410 0.75 MDM2 (0.41) CA1CA2TDP1
SCHEMBL10144113 0.75 MDM2 (0.41) CA1CA2SIRT5ITGB3ITGA2B
SCHEMBL10143778 0.74 MDM2 (0.41) CA1CA2SIRT5HDAC4HDAC1
SCHEMBL10144157 0.74 MDM2 (0.40) CA1CA2SIRT5HDAC4HDAC1
SCHEMBL10143766 0.73 MDM2 (0.40) CA1CA2SIRT5HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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